(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone

C17H23N3O2 — CID 110849904

IUPAC(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3ccc(OC)cc3n2C)CC1
InChIInChI=1S/C17H23N3O2/c1-4-19-7-9-20(10-8-19)17(21)16-11-13-5-6-14(22-3)12-15(13)18(16)2/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyZEXRSSFABKMCII-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.96
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone (PubChem CID 110849904) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
PubChem CID110849904
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3ccc(OC)cc3n2C)CC1
InChIInChI=1S/C17H23N3O2/c1-4-19-7-9-20(10-8-19)17(21)16-11-13-5-6-14(22-3)12-15(13)18(16)2/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyZEXRSSFABKMCII-UHFFFAOYSA-N
XLogP1.96
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120952
tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
ethyl 2-[1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-2-yl]acetate
CID 70733882
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636
[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone
CID 155181163
[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 25289588
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
CID 50801779
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42785656

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone (CID 110849904) is (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone is CCN1CCN(C(=O)c2cc3ccc(OC)cc3n2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is ZEXRSSFABKMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-19-7-9-20(10-8-19)17(21)16-11-13-5-6-14(22-3)12-15(13)18(16)2/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 110849904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).